1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C17H27F3N4 — CID 86803437

IUPAC1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESFC(F)(F)c1cnc(C2CCN(CCCN3CCCCC3)CC2)[nH]1
InChIInChI=1S/C17H27F3N4/c18-17(19,20)15-13-21-16(22-15)14-5-11-24(12-6-14)10-4-9-23-7-2-1-3-8-23/h13-14H,1-12H2,(H,21,22)
InChIKeyOYHKNDJBVPBNPW-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 86803437) has the molecular formula C17H27F3N4 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID86803437
Molecular FormulaC17H27F3N4
Molecular Weight344.43 g/mol
Exact Mass344.22
IUPAC Name1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESFC(F)(F)c1cnc(C2CCN(CCCN3CCCCC3)CC2)[nH]1
InChIInChI=1S/C17H27F3N4/c18-17(19,20)15-13-21-16(22-15)14-5-11-24(12-6-14)10-4-9-23-7-2-1-3-8-23/h13-14H,1-12H2,(H,21,22)
InChIKeyOYHKNDJBVPBNPW-UHFFFAOYSA-N
XLogP3.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 71996185
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72119933
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282
4-(5-(trifluoromethyl)-1H-imidazol-2-yl)piperidine dihydrochloride
CID 132342161
2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 71990140
2-chloro-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 72119929
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide
CID 72120340
N-methyl-N'-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-N-[(4-methyl-1H-imidazol-2-yl)methyl]urea
CID 131910924
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 132380301

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 86803437) is 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is FC(F)(F)c1cnc(C2CCN(CCCN3CCCCC3)CC2)[nH]1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is OYHKNDJBVPBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N4/c18-17(19,20)15-13-21-16(22-15)14-5-11-24(12-6-14)10-4-9-23-7-2-1-3-8-23/h13-14H,1-12H2,(H,21,22).
What are the key properties of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 344.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 86803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).